2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C20H26N6OS2 — CID 46639869

About 2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 46639869) has the molecular formula C20H26N6OS2 and a molecular weight of 430.60 g/mol. Its IUPAC name is 2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

• Compound Name: 2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
• PubChem CID: 46639869
• Molecular Formula: C20H26N6OS2
• Molecular Weight: 430.60 g/mol
• Exact Mass: 430.16
• IUPAC Name: 2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
• SMILES: CCc1cccc(C)c1Nc1nnc(SC(C)C(=O)Nc2ccnn2C(C)C)s1
• InChI: InChI=1S/C20H26N6OS2/c1-6-15-9-7-8-13(4)17(15)23-19-24-25-20(29-19)28-14(5)18(27)22-16-10-11-21-26(16)12(2)3/h7-12,14H,6H2,1-5H3,(H,22,27)(H,23,24)
• InChIKey: IGOGWHLNPDSGLX-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.60
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?

The IUPAC name of 2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 46639869) is 2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

What is the SMILES notation for 2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?

The canonical SMILES for 2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CCc1cccc(C)c1Nc1nnc(SC(C)C(=O)Nc2ccnn2C(C)C)s1.

What is the InChIKey of 2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?

The InChIKey is IGOGWHLNPDSGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6OS2/c1-6-15-9-7-8-13(4)17(15)23-19-24-25-20(29-19)28-14(5)18(27)22-16-10-11-21-26(16)12(2)3/h7-12,14H,6H2,1-5H3,(H,22,27)(H,23,24).

What are the key properties of 2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?

2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 430.60 g/mol, XLogP of 5.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 46639869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).